(2S,4S)-1-methyl-4-(triazol-1-yl)pyrrolidine-2-carbohydrazide

C8H14N6O — CID 137415029

IUPAC(2S,4S)-1-methyl-4-(triazol-1-yl)pyrrolidine-2-carbohydrazide
SMILESCN1C[C@@H](n2ccnn2)C[C@H]1C(=O)NN
InChIInChI=1S/C8H14N6O/c1-13-5-6(14-3-2-10-12-14)4-7(13)8(15)11-9/h2-3,6-7H,4-5,9H2,1H3,(H,11,15)/t6-,7-/m0/s1
InChIKeyLKUJOYUAHWEDRU-BQBZGAKWSA-N
MW210.24 g/mol
LogP-1.49
Rot. Bonds2

About (2S,4S)-1-methyl-4-(triazol-1-yl)pyrrolidine-2-carbohydrazide

(2S,4S)-1-methyl-4-(triazol-1-yl)pyrrolidine-2-carbohydrazide (PubChem CID 137415029) has the molecular formula C8H14N6O and a molecular weight of 210.24 g/mol. Its IUPAC name is (2S,4S)-1-methyl-4-(triazol-1-yl)pyrrolidine-2-carbohydrazide.

Molecular Properties

Compound Name(2S,4S)-1-methyl-4-(triazol-1-yl)pyrrolidine-2-carbohydrazide
PubChem CID137415029
Molecular FormulaC8H14N6O
Molecular Weight210.24 g/mol
Exact Mass210.12
IUPAC Name(2S,4S)-1-methyl-4-(triazol-1-yl)pyrrolidine-2-carbohydrazide
SMILESCN1C[C@@H](n2ccnn2)C[C@H]1C(=O)NN
InChIInChI=1S/C8H14N6O/c1-13-5-6(14-3-2-10-12-14)4-7(13)8(15)11-9/h2-3,6-7H,4-5,9H2,1H3,(H,11,15)/t6-,7-/m0/s1
InChIKeyLKUJOYUAHWEDRU-BQBZGAKWSA-N
XLogP-1.49
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S,4R)-2-(hydrazinecarbonyl)-4-pyrazol-1-ylpyrrolidine-1-carboxylic acid
CID 137407685
2-methoxy-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one
CID 146088228
2-ethyl-1-[3-(triazol-1-yl)azetidin-1-yl]butan-1-one
CID 121154833
2-cyclopentylidene-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one
CID 136521619
N-cycloheptyl-3-(triazol-1-yl)azetidine-1-carboxamide
CID 121183847
N-cyclohexyl-3-(triazol-1-yl)azetidine-1-carboxamide
CID 121154889
3-(triazol-1-yl)cyclobutan-1-one
CID 166000028
N'-[3-(triazol-1-yl)cyclobutanecarbonyl]thiophene-2-carbohydrazide
CID 166265181
(2S)-2-phenyl-1-[3-(triazol-1-yl)azetidin-1-yl]butan-1-one
CID 129352862
(3,5-ditert-butylphenyl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
CID 121154730
2-bicyclo[2.2.1]hept-5-enyl-[3-(triazol-1-yl)azetidin-1-yl]methanone
CID 121154855
tert-butyl 3-(triazol-1-yl)pyrrolidine-1-carboxylate
CID 19005932

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-methyl-4-(triazol-1-yl)pyrrolidine-2-carbohydrazide?
The IUPAC name of (2S,4S)-1-methyl-4-(triazol-1-yl)pyrrolidine-2-carbohydrazide (CID 137415029) is (2S,4S)-1-methyl-4-(triazol-1-yl)pyrrolidine-2-carbohydrazide.
What is the SMILES notation for (2S,4S)-1-methyl-4-(triazol-1-yl)pyrrolidine-2-carbohydrazide?
The canonical SMILES for (2S,4S)-1-methyl-4-(triazol-1-yl)pyrrolidine-2-carbohydrazide is CN1C[C@@H](n2ccnn2)C[C@H]1C(=O)NN.
What is the InChIKey of (2S,4S)-1-methyl-4-(triazol-1-yl)pyrrolidine-2-carbohydrazide?
The InChIKey is LKUJOYUAHWEDRU-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H14N6O/c1-13-5-6(14-3-2-10-12-14)4-7(13)8(15)11-9/h2-3,6-7H,4-5,9H2,1H3,(H,11,15)/t6-,7-/m0/s1.
What are the key properties of (2S,4S)-1-methyl-4-(triazol-1-yl)pyrrolidine-2-carbohydrazide?
(2S,4S)-1-methyl-4-(triazol-1-yl)pyrrolidine-2-carbohydrazide has a molecular weight of 210.24 g/mol, XLogP of -1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-methyl-4-(triazol-1-yl)pyrrolidine-2-carbohydrazide is sourced from PubChem (CID 137415029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).